SCHEMBL5798976

SCHEMBL5798976

COc1cccc2c1Oc1ccc([N+](=O)[O-])cc1O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 11/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
PKM P14618 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
RAB9A P51151 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5796814 1.00 HTT (0.47) HTTTDP1MAPTMEN1KMT2A
SCHEMBL5795100 0.81 TDP1 (0.46) HTTTDP1MAPTMEN1KMT2A
SCHEMBL3857441 0.80 MEN1 (0.46) HTTTDP1MAPTMEN1KMT2A
SCHEMBL5798998 0.79 TDP1 (0.47) HTTTDP1MAPTMEN1KMT2A
SCHEMBL5798312 0.79 MEN1 (0.45) HTTMAPTMEN1KMT2AGAA
SCHEMBL5798781 0.79 MEN1 (0.59) HTTTDP1MAPTMEN1KMT2A
SCHEMBL5798378 0.78 CTSV (0.46) HTTTDP1MAPTMEN1KMT2A
SCHEMBL5795441 0.77 AHR (0.50) HTTTDP1MAPTMEN1KMT2A
SCHEMBL2390951 0.77 ALDH1A1 (0.52) HTTTDP1MAPTMEN1KMT2A
SCHEMBL5798636 0.76 KDM4E (0.41) HTTTDP1MAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870646-B2 Oxazolidinones and pharmaceutical compositions thereof for treating bacterial infections, including infection of Mycobacterium tuberculosis UNIVERSITY OF ST. THOMAS (US) 2020-12-22 US disclosed
WO-2006040650-A1 4-METHOXYACRIDINE-1-CARBOXAMIDE DERIVATIVES AND THE PHENAZINE AND OXANTHRENE ANALOGS AS PDE4-INHIBITORS FOR THE TREATMENT OF ASTHMA AND CHRONIC PULMONARY DISEASE (COPD) GLENMARK PHARMACEUTICALS S.A. (US) 2006-04-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10870646-B2 Oxazolidinones and pharmaceutical compositions thereof for treating bacterial infections, including infection of Mycobacterium tuberculosis OXA1L, IMMT, TBCD HTT 4716/4885TDP1 4372/4885MAPT 2030/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.